Sodium ion → 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid [4-dimethylamino-4-(3-fluorophenyl)cyclohexyl]amide

HRID 808528

Reaction equation

HRID 808528 reaction equation
[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[Cl:25][c:26]1[c:27](-[c:32]2[n:33][o:34][c:35]([CH3:40])[c:36]2[C:37](=[O:38])[Cl:39])[cH:28][cH:29][cH:30][cH:31]1.[Cl:52][CH2:53][Cl:54].[F:1][c:2]1[cH:3][c:4]([C:8]2([N:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH:11]([NH2:14])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[Na+:42].[OH-:41]>>[F:1][c:2]1[cH:3][c:4]([C:8]2([N:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH:11]([NH:14][C:37]([c:36]3[c:32](-[c:27]4[c:26]([Cl:25])[cH:31][cH:30][cH:29][cH:28]4)[n:33][o:34][c:35]3[CH3:40])=[O:38])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 965904-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-HCID 579041991-(3-fluorophenyl)-N,N-dimethylcyclohexane-1,4-diamine

Product 1

HCID 116982073-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid [4-dimethylamino-4-(3-fluorophenyl)cyclohexyl]amide

Sources & evidence

ORD record
ord-047a9f4a8b094551b13e8aaa2ed10392
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Linked notes

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